Crystallography Open Database

Information card for entry 4513676

Preview

Coordinates	4513676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H60 Co3 N12 O14
Calculated formula	C92 H60 Co3 N12 O14
Title of publication	Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties
Authors of publication	Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	12
Pages of publication	5781
a	11.852 ± 0.003 Å
b	12.333 ± 0.007 Å
c	14.889 ± 0.007 Å
α	92.06 ± 0.07°
β	109.36 ± 0.04°
γ	106.58 ± 0.04°
Cell volume	1947.3 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.124
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.2263
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170779 (current)	2015-12-06	cif/ Updating files of 4513672, 4513673, 4513674, 4513675, 4513676 Original log message: Adding full bibliography for 4513672--4513676.cif.	4513676.cif
169866	2015-10-30	cif/ Adding structures of 4513672, 4513673, 4513674, 4513675, 4513676 via cif-deposit CGI script.	4513676.cif